2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C26H22ClN3O3 MolecularWeight: 459.92418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H22ClN3O3/c27-20-4-3-5-21(16-20)28-12-14-29(15-13-28)24(31)19-10-8-18(9-11-19)17-30-25(32)22-6-1-2-7-23(22)26(30)33/h1-11,16H,12-15,17H2